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CAS 20814-48-6

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N,N'-bis(4-{[(2E)-1-propylpyridin-2(1H)-ylidene]amino}phenyl)benzene-1,4-dicarboxamide 4-methylbenzenesulfonate (1:2)

Description:
N,N'-bis(4-{[(2E)-1-propylpyridin-2(1H)-ylidene]amino}phenyl)benzene-1,4-dicarboxamide 4-methylbenzenesulfonate (1:2), with CAS number 20814-48-6, is a complex organic compound characterized by its dual functionality as both an amide and a sulfonate. This substance features a central benzene core substituted with dicarboxamide groups, which contribute to its potential solubility and reactivity. The presence of the pyridine moiety indicates possible coordination properties and biological activity, as pyridine derivatives are often involved in various chemical interactions. The sulfonate group enhances the compound's solubility in polar solvents, making it suitable for applications in biological systems or as a reagent in organic synthesis. Its structural complexity suggests potential uses in pharmaceuticals, agrochemicals, or as a ligand in coordination chemistry. The compound's stability, solubility, and reactivity would depend on the specific conditions of use, including pH and solvent environment. Overall, this compound exemplifies the intricate design often found in synthetic organic chemistry.
Formula:C50H52N6O8S2
InChI:InChI=1/C36H36N6O2.2C7H8O3S/c1-3-23-41-25-7-5-9-33(41)37-29-15-19-31(20-16-29)39-35(43)27-11-13-28(14-12-27)36(44)40-32-21-17-30(18-22-32)38-34-10-6-8-26-42(34)24-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22,25-26H,3-4,23-24H2,1-2H3,(H,39,43)(H,40,44);2*2-5H,1H3,(H,8,9,10)/b37-33+,38-34+;;
InChI key:VIMPORFQRYGWEZ-UHFFFAOYSA-N
SMILES:CCCN1C=CC=CC1=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=CC=CN5CCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
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